4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide

C13H30N4O — CID 66430169

IUPAC4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide
SMILESCCN(CC)CCNC(CN)CC(=O)NC(C)C
InChIInChI=1S/C13H30N4O/c1-5-17(6-2)8-7-15-12(10-14)9-13(18)16-11(3)4/h11-12,15H,5-10,14H2,1-4H3,(H,16,18)
InChIKeyNENXOANEYQDJLC-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.16
Rot. Bonds10

About 4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide

4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide (PubChem CID 66430169) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide
PubChem CID66430169
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide
SMILESCCN(CC)CCNC(CN)CC(=O)NC(C)C
InChIInChI=1S/C13H30N4O/c1-5-17(6-2)8-7-15-12(10-14)9-13(18)16-11(3)4/h11-12,15H,5-10,14H2,1-4H3,(H,16,18)
InChIKeyNENXOANEYQDJLC-UHFFFAOYSA-N
XLogP0.16
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-3-(propylamino)butanamide
CID 66427140
4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide
CID 66432611
2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine
CID 65385472
N-[2-(diethylamino)ethyl]-2-(propan-2-ylamino)acetamide
CID 60843052
4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide
CID 103154141
1-N-[2-(diethylamino)ethyl]-1-N',1-N'-dimethylethane-1,1,2-triamine
CID 123998123
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide
CID 66430981
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
CID 60849509
2-[2-(diethylamino)ethylamino]-N-pentan-2-ylpropanamide
CID 43112761
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine
CID 65382937
1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea
CID 44757629

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide (CID 66430169) is 4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide is CCN(CC)CCNC(CN)CC(=O)NC(C)C.
What is the InChIKey of 4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide?
The InChIKey is NENXOANEYQDJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-5-17(6-2)8-7-15-12(10-14)9-13(18)16-11(3)4/h11-12,15H,5-10,14H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide?
4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide has a molecular weight of 258.41 g/mol, XLogP of 0.16, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 66430169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).